› 1eu1

X-ray diffraction
1.3Å resolution

THE CRYSTAL STRUCTURE OF RHODOBACTER SPHAEROIDES DIMETHYLSULFOXIDE REDUCTASE REVEALS TWO DISTINCT MOLYBDENUM COORDINATION ENVIRONMENTS.

Released:
DOI: 10.2210/pdb1eu1/pdb
PDB entry 1eu1 coloured by chain, front view.
PDB entry 1eu1 coloured by chain, side view.
PDB entry 1eu1 coloured by chain, top view.
Source organism: Cereibacter sphaeroides
Primary publication:
The 1.3 A Crystal Structure of Rhodobacter sphaeroides Dimethylsulfoxide Reductase Reveals Two Distinct Molybdenum Coordination Environments
Li HK, Temple K, Rajagopalan KV, Schindelin H
J. Am. Chem. Soc. 122 7673-7680 (2000)

Function and Biology Details

Reactions catalysed: 
Trimethylamine + 2 (ferricytochrome c)-subunit + H(2)O = trimethylamine N-oxide + 2 (ferrocytochrome c)-subunit + 2 H(+)
Dimethylsulfide + menaquinone + H(2)O = dimethylsulfoxide + menaquinol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176422 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dimethyl sulfoxide/trimethylamine N-oxide reductase Chain: A
Molecule details ›
Chain: A
Length: 780 amino acids
Theoretical weight: 85.02 KDa
Source organism: Cereibacter sphaeroides
Expression system: Bacteria
UniProt:
  • Canonical: Q57366 (Residues: 43-822; Coverage: 100%)
Gene names: dmsA, dsrA
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand MGD 2 x MGD
6 bound ligands:
Ligand GLC 3 x GLC
Ligand SO4 1 x SO4
Ligand CD 1 x CD
Ligand 6MO 1 x 6MO
Ligand O 2 x O
Ligand EPE 1 x EPE
1 modified residue:
Ligand CSD 1 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X26C
Spacegroup: P21212
Unit cell:
a: 102.176Å b: 141.718Å c: 59.812Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.121 0.121 0.145
Expression system: Bacteria

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Citations

4 mentions without citation

The mononuclear molybdenum enzymes.
Hille et al. (2014)
3 more